scholarly journals How Can We Predict Accurate Electrochromic Shifts for Biochromophores? A Case Study on the Photosynthetic Reaction Center

2021 ◽  
Vol 17 (3) ◽  
pp. 1858-1873
Author(s):  
Abhishek Sirohiwal ◽  
Frank Neese ◽  
Dimitrios A. Pantazis
Keyword(s):  
Reaction Center ◽  
Photosynthetic Reaction Center

scholarly journals Effect of ultrasound on the function and structure of a membrane protein: The case study of photosynthetic Reaction Center from Rhodobacter sphaeroides

2017 ◽  
Vol 35 ◽  
pp. 103-111 ◽  
Author(s):  
Vincenzo De Leo ◽  
Lucia Catucci ◽  
A. Evelyn Di Mauro ◽  
Angela Agostiano ◽  
Livia Giotta ◽  
...  
Keyword(s):  
Membrane Protein ◽  
Reaction Center ◽  
Rhodobacter Sphaeroides ◽  
Photosynthetic Reaction Center

Computational Investigation of the Asymmetry in Photosynthetic Reaction Center Models from First Principles

2020 ◽  
Author(s):  
Denis Artiukhin ◽  
Patrick Eschenbach ◽  
Johannes Neugebauer
Keyword(s):  
Spin Density ◽  
Reaction Center ◽  
Density Functional ◽  
Photosynthetic Reaction Center ◽  
Chem Phys ◽  
Molecular Structures ◽  
Error Characteristic ◽  
Molecular Systems ◽  
Density Distributions ◽  
The Asymmetry

We present a computational analysis of the asymmetry in reaction center models of photosystem I, photosystem II, and bacteria from <i>Synechococcus elongatus</i>, <i>Thermococcus vulcanus</i>, and <i>Rhodobacter sphaeroides</i>, respectively. The recently developed FDE-diab methodology [J. Chem. Phys., 148 (2018), 214104] allowed us to effectively avoid the spin-density overdelocalization error characteristic for standard Kohn–Sham Density Functional Theory and to reliably calculate spin-density distributions and electronic couplings for a number of molecular systems ranging from dimeric models in vacuum to large protein including up to about 2000 atoms. The calculated spin densities showed a good agreement with available experimental results and were used to validate reaction center models reported in the literature. We demonstrated that the applied theoretical approach is very sensitive to changes in molecular structures and relative orientation of molecules. This makes FDE-diab a valuable tool for electronic structure calculations of large photosynthetic models effectively complementing the existing experimental techniques.

A Comparison of Stigmatellin Conformations, Free and Bound to the Photosynthetic Reaction Center and the Cytochrome bc1 Complex

2007 ◽  
Vol 368 (1) ◽  
pp. 197-208 ◽  
Author(s):  
C. Roy D. Lancaster ◽  
Carola Hunte ◽  
Jack Kelley ◽  
Bernard L. Trumpower ◽  
Robert Ditchfield
Keyword(s):  
Reaction Center ◽  
Photosynthetic Reaction Center ◽  
Cytochrome Bc1 ◽  
Bc1 Complex ◽  
Cytochrome Bc1 Complex

scholarly journals A unique photosynthetic reaction center from Heliobacterium chlorum

FEBS Letters ◽  
1985 ◽  
Vol 182 (2) ◽  
pp. 345-349 ◽  
Author(s):  
R.Clinton Fuller ◽  
Sallie G. Sprague ◽  
Howard Gest ◽  
Robert E. Blankenship
Keyword(s):  
Reaction Center ◽  
Photosynthetic Reaction Center ◽  
Heliobacterium Chlorum
Sign in / Sign up

Export Citation Format

Share Document